2-{5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-4-(methylsulfanyl)butanoic acid
Chemical Structure Depiction of
2-{5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-4-(methylsulfanyl)butanoic acid
2-{5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-4-(methylsulfanyl)butanoic acid
Compound characteristics
| Compound ID: | 3331-1900 |
| Compound Name: | 2-{5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-4-(methylsulfanyl)butanoic acid |
| Molecular Weight: | 413.53 |
| Molecular Formula: | C17 H19 N O5 S3 |
| Smiles: | CCOc1cc(/C=C2/C(N(C(CCSC)C(O)=O)C(=S)S2)=O)ccc1O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2946 |
| logD: | -0.5562 |
| logSw: | -2.4653 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.806 |
| InChI Key: | WBPHXDQRAIJKJY-NSHDSACASA-N |